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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.32Å	Aromatic
C1	O15	sing	1.36Å	1.33Å	Aromatic
C1	N16	sing	1.40Å	1.33Å
C2	C3	sing	1.41Å	1.47Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	C4	doub	1.38Å	1.33Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.42Å	1.47Å	Aromatic
C4	O15	sing	1.36Å	1.34Å	Aromatic
C5	N6	doub	1.31Å	1.28Å	Aromatic
C5	O14	sing	1.36Å	1.33Å	Aromatic
N6	N7	sing	1.38Å	1.41Å	Aromatic
N7	C8	doub	1.31Å	1.27Å	Aromatic
C8	S9	sing	1.74Å	1.77Å
C8	O14	sing	1.36Å	1.35Å	Aromatic
S9	C10	sing	1.81Å	1.83Å
C10	C11	sing	1.50Å	1.51Å
C10	H101	sing	1.10Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C11	O12	sing	1.36Å	1.34Å
C11	O13	doub	1.23Å	1.22Å
O12	H12	sing	0.98Å	0.95Å
N16	O17	sing	1.27Å	1.24Å
N16	O18	doub	1.27Å	1.26Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O15	117.5°	110.5°
C2	C1	N16	125.0°	133.9°
C1	C2	C3	102.4°	106.2°
C1	C2	H2	128.8°	126.5°
O15	C1	N16	117.5°	115.6°
C1	O15	C4	100.5°	106.7°
C1	N16	O17	126.9°	119.7°
C1	N16	O18	105.9°	119.7°
C3	C2	H2	128.9°	127.4°
C2	C3	C4	102.7°	106.1°
C2	C3	H3	128.6°	127.1°
C4	C3	H3	128.6°	126.7°
C3	C4	C5	128.2°	127.3°
C3	C4	O15	116.9°	110.5°
C5	C4	O15	115.0°	122.2°
C4	C5	N6	121.0°	123.2°
C4	C5	O14	123.9°	123.0°
N6	C5	O14	114.1°	113.8°
C5	N6	N7	104.0°	105.8°
C5	O14	C8	102.9°	101.0°
N6	N7	C8	106.7°	105.9°
N7	C8	S9	128.6°	123.7°
N7	C8	O14	112.2°	113.6°
S9	C8	O14	119.2°	122.7°
C8	S9	C10	98.9°	101.0°
S9	C10	C11	108.1°	109.4°
S9	C10	H101	109.9°	109.9°
S9	C10	H102	110.3°	111.0°
C11	C10	H101	109.9°	108.9°
C11	C10	H102	110.3°	110.3°
C10	C11	O12	117.3°	112.8°
C10	C11	O13	118.1°	124.0°
H101	C10	H102	108.4°	107.4°
O12	C11	O13	123.5°	123.3°
C11	O12	H12	109.5°	115.0°
O17	N16	O18	127.1°	120.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O15	N16	180.0°	180.0°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	180.0°	179.9°
C2	C1	O15	C4	0.1°	0.0°
C2	C1	N16	O17	0.1°	0.0°
C2	C1	N16	O18	179.9°	179.9°
O15	C1	C2	C3	0.1°	0.0°
O15	C1	C2	H2	179.9°	179.9°
C1	O15	C4	C3	0.0°	0.1°
C1	O15	C4	C5	180.0°	180.0°
O15	C1	N16	O17	179.9°	180.0°
O15	C1	N16	O18	0.0°	0.0°
N16	C1	C2	C3	180.0°	180.0°
N16	C1	C2	H2	0.0°	0.0°
N16	C1	O15	C4	180.0°	180.0°
C1	N16	O17	O18	179.9°	179.9°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	180.0°	180.0°
C2	C3	C4	O15	0.0°	0.1°
H2	C2	C3	C4	180.0°	180.0°
H2	C2	C3	H3	0.0°	0.1°
C3	C4	C5	O15	180.0°	180.0°
C3	C4	C5	N6	170.2°	180.0°
C3	C4	C5	O14	2.4°	0.0°
H3	C3	C4	C5	0.0°	0.1°
H3	C3	C4	O15	180.0°	180.0°
C4	C5	N6	O14	168.9°	180.0°
C4	C5	N6	N7	169.0°	180.0°
C4	C5	O14	C8	168.6°	180.0°
O15	C4	C5	N6	9.9°	0.0°
O15	C4	C5	O14	177.6°	180.0°
C5	N6	N7	C8	0.1°	0.0°
N6	C5	O14	C8	0.1°	0.0°
O14	C5	N6	N7	0.1°	0.0°
C5	O14	C8	N7	0.0°	0.0°
C5	O14	C8	S9	179.7°	179.9°
N6	N7	C8	S9	179.7°	179.9°
N6	N7	C8	O14	0.0°	0.1°
N7	C8	S9	O14	179.6°	180.0°
N7	C8	S9	C10	55.8°	180.0°
C8	S9	C10	C11	73.0°	180.0°
C8	S9	C10	H101	167.0°	60.5°
C8	S9	C10	H102	47.6°	58.1°
O14	C8	S9	C10	124.6°	0.0°
S9	C10	C11	H101	120.0°	120.1°
S9	C10	C11	H102	120.6°	122.3°
S9	C10	H101	H102	120.6°	120.8°
S9	C10	C11	O12	137.4°	150.9°
S9	C10	C11	O13	31.0°	30.0°
C11	C10	H101	H102	120.6°	119.4°
C10	C11	O12	O13	167.7°	179.2°
C10	C11	O12	H12	167.7°	179.3°
H101	C10	C11	O12	17.4°	30.8°
H101	C10	C11	O13	151.0°	150.0°
H102	C10	C11	O12	102.0°	86.8°
H102	C10	C11	O13	89.6°	92.3°
O13	C11	O12	H12	0.0°	0.1°

246704

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